USER MOD reduce.3.24.130724 H: found=0, std=0, add=259, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 262 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 152 SER OG : rot -170:sc= 0.0536 USER MOD Set 2.1: A 105 THR OG1 : rot 170:sc= -0.935 USER MOD Set 2.2: A 119 THR OG1 : rot 134:sc= 1.12 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.0839 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 93:sc= 1.01 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 52:sc= 0.0202 USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 101 2.980 -1.759 -2.451 1.00 0.00 N ATOM 19 CA LEU A 101 3.520 -3.033 -2.913 1.00 0.00 C ATOM 20 C LEU A 101 5.032 -3.085 -2.720 1.00 0.00 C ATOM 21 O LEU A 101 5.762 -2.225 -3.212 1.00 0.00 O ATOM 22 CB LEU A 101 3.175 -3.250 -4.387 1.00 0.00 C ATOM 23 CG LEU A 101 2.950 -4.701 -4.817 1.00 0.00 C ATOM 24 CD1 LEU A 101 3.251 -4.871 -6.298 1.00 0.00 C ATOM 25 CD2 LEU A 101 3.807 -5.643 -3.984 1.00 0.00 C ATOM 0 HA LEU A 101 3.069 -3.828 -2.319 1.00 0.00 H new ATOM 0 HB2 LEU A 101 2.275 -2.680 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.979 -2.833 -4.993 1.00 0.00 H new ATOM 0 HG LEU A 101 1.903 -4.952 -4.649 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.086 -5.909 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.594 -4.224 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 101 4.289 -4.602 -6.491 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.634 -6.671 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.859 -5.393 -4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.542 -5.541 -2.932 1.00 0.00 H new ATOM 37 N LYS A 102 5.496 -4.102 -2.001 1.00 0.00 N ATOM 38 CA LYS A 102 6.922 -4.270 -1.745 1.00 0.00 C ATOM 39 C LYS A 102 7.433 -5.574 -2.349 1.00 0.00 C ATOM 40 O LYS A 102 6.831 -6.633 -2.165 1.00 0.00 O ATOM 41 CB LYS A 102 7.196 -4.251 -0.239 1.00 0.00 C ATOM 42 CG LYS A 102 6.953 -2.898 0.406 1.00 0.00 C ATOM 43 CD LYS A 102 5.655 -2.881 1.195 1.00 0.00 C ATOM 44 CE LYS A 102 5.850 -3.431 2.600 1.00 0.00 C ATOM 45 NZ LYS A 102 4.721 -4.311 3.012 1.00 0.00 N ATOM 0 H LYS A 102 4.905 -4.822 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 102 7.451 -3.441 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.564 -4.994 0.246 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.230 -4.548 -0.062 1.00 0.00 H new ATOM 0 HG2 LYS A 102 7.785 -2.655 1.067 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.922 -2.127 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.276 -1.861 1.252 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.903 -3.472 0.673 1.00 0.00 H new ATOM 0 HE2 LYS A 102 6.783 -3.993 2.644 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.942 -2.604 3.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.891 -4.666 3.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.834 -3.769 2.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.649 -5.114 2.355 1.00 0.00 H new ATOM 59 N CYS A 103 8.547 -5.491 -3.068 1.00 0.00 N ATOM 60 CA CYS A 103 9.140 -6.664 -3.699 1.00 0.00 C ATOM 61 C CYS A 103 10.630 -6.756 -3.384 1.00 0.00 C ATOM 62 O CYS A 103 11.303 -5.739 -3.216 1.00 0.00 O ATOM 63 CB CYS A 103 8.929 -6.617 -5.213 1.00 0.00 C ATOM 64 SG CYS A 103 7.232 -6.183 -5.714 1.00 0.00 S ATOM 0 H CYS A 103 9.058 -4.623 -3.228 1.00 0.00 H new ATOM 0 HA CYS A 103 8.647 -7.549 -3.298 1.00 0.00 H new ATOM 0 HB2 CYS A 103 9.620 -5.892 -5.643 1.00 0.00 H new ATOM 0 HB3 CYS A 103 9.184 -7.589 -5.635 1.00 0.00 H new ATOM 69 N TYR A 104 11.139 -7.980 -3.307 1.00 0.00 N ATOM 70 CA TYR A 104 12.549 -8.205 -3.011 1.00 0.00 C ATOM 71 C TYR A 104 13.422 -7.840 -4.208 1.00 0.00 C ATOM 72 O TYR A 104 13.906 -8.713 -4.929 1.00 0.00 O ATOM 73 CB TYR A 104 12.783 -9.666 -2.622 1.00 0.00 C ATOM 74 CG TYR A 104 12.490 -9.959 -1.168 1.00 0.00 C ATOM 75 CD1 TYR A 104 13.256 -9.395 -0.156 1.00 0.00 C ATOM 76 CD2 TYR A 104 11.445 -10.801 -0.806 1.00 0.00 C ATOM 77 CE1 TYR A 104 12.992 -9.661 1.174 1.00 0.00 C ATOM 78 CE2 TYR A 104 11.172 -11.071 0.521 1.00 0.00 C ATOM 79 CZ TYR A 104 11.949 -10.499 1.507 1.00 0.00 C ATOM 80 OH TYR A 104 11.682 -10.766 2.831 1.00 0.00 O ATOM 0 H TYR A 104 10.596 -8.832 -3.445 1.00 0.00 H new ATOM 0 HA TYR A 104 12.825 -7.564 -2.174 1.00 0.00 H new ATOM 0 HB2 TYR A 104 12.157 -10.304 -3.246 1.00 0.00 H new ATOM 0 HB3 TYR A 104 13.819 -9.929 -2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 104 14.073 -8.737 -0.413 1.00 0.00 H new ATOM 0 HD2 TYR A 104 10.836 -11.252 -1.575 1.00 0.00 H new ATOM 0 HE1 TYR A 104 13.599 -9.215 1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 104 10.355 -11.726 0.785 1.00 0.00 H new ATOM 0 HH TYR A 104 10.915 -11.373 2.894 1.00 0.00 H new ATOM 90 N THR A 105 13.620 -6.542 -4.413 1.00 0.00 N ATOM 91 CA THR A 105 14.434 -6.059 -5.521 1.00 0.00 C ATOM 92 C THR A 105 15.749 -5.471 -5.023 1.00 0.00 C ATOM 93 O THR A 105 15.761 -4.592 -4.161 1.00 0.00 O ATOM 94 CB THR A 105 13.687 -4.991 -6.343 1.00 0.00 C ATOM 95 OG1 THR A 105 13.806 -3.713 -5.709 1.00 0.00 O ATOM 96 CG2 THR A 105 12.217 -5.354 -6.493 1.00 0.00 C ATOM 0 H THR A 105 13.228 -5.806 -3.826 1.00 0.00 H new ATOM 0 HA THR A 105 14.642 -6.919 -6.158 1.00 0.00 H new ATOM 0 HB THR A 105 14.137 -4.947 -7.335 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.471 -3.016 -6.312 1.00 0.00 H new ATOM 0 HG21 THR A 105 11.710 -4.586 -7.077 1.00 0.00 H new ATOM 0 HG22 THR A 105 12.129 -6.314 -7.002 1.00 0.00 H new ATOM 0 HG23 THR A 105 11.757 -5.423 -5.507 1.00 0.00 H new ATOM 104 N CYS A 106 16.856 -5.962 -5.570 1.00 0.00 N ATOM 105 CA CYS A 106 18.178 -5.486 -5.181 1.00 0.00 C ATOM 106 C CYS A 106 18.544 -4.216 -5.943 1.00 0.00 C ATOM 107 O CYS A 106 17.805 -3.770 -6.821 1.00 0.00 O ATOM 108 CB CYS A 106 19.228 -6.568 -5.437 1.00 0.00 C ATOM 109 SG CYS A 106 19.157 -7.294 -7.107 1.00 0.00 S ATOM 0 H CYS A 106 16.864 -6.690 -6.285 1.00 0.00 H new ATOM 0 HA CYS A 106 18.155 -5.256 -4.116 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.219 -6.142 -5.280 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.102 -7.363 -4.701 1.00 0.00 H new ATOM 0 HG CYS A 106 20.085 -8.197 -7.228 1.00 0.00 H new ATOM 276 N ILE A 118 14.134 -5.618 0.581 1.00 0.00 N ATOM 277 CA ILE A 118 12.785 -5.064 0.594 1.00 0.00 C ATOM 278 C ILE A 118 12.753 -3.680 -0.045 1.00 0.00 C ATOM 279 O ILE A 118 13.218 -2.702 0.541 1.00 0.00 O ATOM 280 CB ILE A 118 12.230 -4.969 2.028 1.00 0.00 C ATOM 281 CG1 ILE A 118 12.222 -6.349 2.688 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.830 -4.373 2.015 1.00 0.00 C ATOM 283 CD1 ILE A 118 11.749 -6.329 4.125 1.00 0.00 C ATOM 0 HA ILE A 118 12.159 -5.743 0.015 1.00 0.00 H new ATOM 0 HB ILE A 118 12.878 -4.313 2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.579 -7.015 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 118 13.228 -6.766 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.451 -4.312 3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.864 -3.374 1.580 1.00 0.00 H new ATOM 0 HG23 ILE A 118 10.171 -5.005 1.420 1.00 0.00 H new ATOM 0 HD11 ILE A 118 11.769 -7.341 4.529 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.405 -5.690 4.715 1.00 0.00 H new ATOM 0 HD13 ILE A 118 10.731 -5.942 4.168 1.00 0.00 H new ATOM 295 N THR A 119 12.198 -3.604 -1.251 1.00 0.00 N ATOM 296 CA THR A 119 12.104 -2.340 -1.970 1.00 0.00 C ATOM 297 C THR A 119 10.650 -1.957 -2.220 1.00 0.00 C ATOM 298 O THR A 119 9.804 -2.818 -2.464 1.00 0.00 O ATOM 299 CB THR A 119 12.845 -2.405 -3.319 1.00 0.00 C ATOM 300 OG1 THR A 119 14.253 -2.536 -3.099 1.00 0.00 O ATOM 301 CG2 THR A 119 12.570 -1.159 -4.148 1.00 0.00 C ATOM 0 H THR A 119 11.807 -4.403 -1.750 1.00 0.00 H new ATOM 0 HA THR A 119 12.574 -1.583 -1.342 1.00 0.00 H new ATOM 0 HB THR A 119 12.481 -3.274 -3.867 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.613 -3.233 -3.687 1.00 0.00 H new ATOM 0 HG21 THR A 119 13.104 -1.228 -5.096 1.00 0.00 H new ATOM 0 HG22 THR A 119 11.500 -1.078 -4.339 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.909 -0.278 -3.604 1.00 0.00 H new ATOM 309 N ARG A 120 10.365 -0.660 -2.157 1.00 0.00 N ATOM 310 CA ARG A 120 9.012 -0.163 -2.376 1.00 0.00 C ATOM 311 C ARG A 120 8.771 0.122 -3.855 1.00 0.00 C ATOM 312 O ARG A 120 9.508 0.884 -4.481 1.00 0.00 O ATOM 313 CB ARG A 120 8.773 1.106 -1.556 1.00 0.00 C ATOM 314 CG ARG A 120 9.455 1.090 -0.197 1.00 0.00 C ATOM 315 CD ARG A 120 8.892 -0.005 0.696 1.00 0.00 C ATOM 316 NE ARG A 120 9.778 -0.307 1.816 1.00 0.00 N ATOM 317 CZ ARG A 120 9.372 -0.893 2.937 1.00 0.00 C ATOM 318 NH1 ARG A 120 8.101 -1.238 3.086 1.00 0.00 N ATOM 319 NH2 ARG A 120 10.239 -1.135 3.912 1.00 0.00 N ATOM 0 H ARG A 120 11.053 0.065 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 120 8.312 -0.933 -2.053 1.00 0.00 H new ATOM 0 HB2 ARG A 120 9.129 1.967 -2.122 1.00 0.00 H new ATOM 0 HB3 ARG A 120 7.701 1.240 -1.414 1.00 0.00 H new ATOM 0 HG2 ARG A 120 10.526 0.939 -0.328 1.00 0.00 H new ATOM 0 HG3 ARG A 120 9.326 2.058 0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.918 0.303 1.077 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.733 -0.908 0.106 1.00 0.00 H new ATOM 0 HE ARG A 120 10.763 -0.054 1.733 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.432 -1.054 2.339 1.00 0.00 H new ATOM 0 HH12 ARG A 120 7.792 -1.688 3.948 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.218 -0.871 3.801 1.00 0.00 H new ATOM 0 HH22 ARG A 120 9.926 -1.585 4.772 1.00 0.00 H new ATOM 333 N CYS A 121 7.733 -0.496 -4.410 1.00 0.00 N ATOM 334 CA CYS A 121 7.393 -0.311 -5.815 1.00 0.00 C ATOM 335 C CYS A 121 6.626 0.992 -6.022 1.00 0.00 C ATOM 336 O CYS A 121 6.412 1.756 -5.081 1.00 0.00 O ATOM 337 CB CYS A 121 6.562 -1.491 -6.321 1.00 0.00 C ATOM 338 SG CYS A 121 7.463 -3.074 -6.357 1.00 0.00 S ATOM 0 H CYS A 121 7.112 -1.130 -3.907 1.00 0.00 H new ATOM 0 HA CYS A 121 8.322 -0.260 -6.384 1.00 0.00 H new ATOM 0 HB2 CYS A 121 5.682 -1.600 -5.687 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.205 -1.266 -7.326 1.00 0.00 H new ATOM 343 N LYS A 122 6.214 1.239 -7.261 1.00 0.00 N ATOM 344 CA LYS A 122 5.469 2.447 -7.594 1.00 0.00 C ATOM 345 C LYS A 122 3.989 2.283 -7.263 1.00 0.00 C ATOM 346 O LYS A 122 3.485 1.172 -7.099 1.00 0.00 O ATOM 347 CB LYS A 122 5.637 2.782 -9.078 1.00 0.00 C ATOM 348 CG LYS A 122 6.965 2.326 -9.658 1.00 0.00 C ATOM 349 CD LYS A 122 7.243 2.985 -10.999 1.00 0.00 C ATOM 350 CE LYS A 122 8.631 2.636 -11.514 1.00 0.00 C ATOM 351 NZ LYS A 122 9.309 3.813 -12.123 1.00 0.00 N ATOM 0 H LYS A 122 6.384 0.618 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 122 5.868 3.266 -6.996 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.826 2.319 -9.640 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.543 3.860 -9.212 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.769 2.564 -8.961 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.958 1.243 -9.778 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.494 2.667 -11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 122 7.152 4.067 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.237 2.252 -10.693 1.00 0.00 H new ATOM 0 HE3 LYS A 122 8.554 1.839 -12.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 10.252 3.534 -12.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.744 4.164 -12.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 9.406 4.565 -11.411 1.00 0.00 H new ATOM 365 N PRO A 123 3.275 3.413 -7.165 1.00 0.00 N ATOM 366 CA PRO A 123 1.842 3.420 -6.855 1.00 0.00 C ATOM 367 C PRO A 123 0.999 2.871 -8.001 1.00 0.00 C ATOM 368 O PRO A 123 -0.059 2.284 -7.779 1.00 0.00 O ATOM 369 CB PRO A 123 1.535 4.902 -6.628 1.00 0.00 C ATOM 370 CG PRO A 123 2.576 5.629 -7.408 1.00 0.00 C ATOM 371 CD PRO A 123 3.810 4.773 -7.349 1.00 0.00 C ATOM 0 HA PRO A 123 1.607 2.786 -6.000 1.00 0.00 H new ATOM 0 HB2 PRO A 123 0.533 5.156 -6.973 1.00 0.00 H new ATOM 0 HB3 PRO A 123 1.582 5.158 -5.570 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.256 5.782 -8.439 1.00 0.00 H new ATOM 0 HG3 PRO A 123 2.764 6.615 -6.983 1.00 0.00 H new ATOM 0 HD2 PRO A 123 4.398 4.853 -8.263 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.461 5.063 -6.525 1.00 0.00 H new ATOM 379 N GLU A 124 1.475 3.066 -9.227 1.00 0.00 N ATOM 380 CA GLU A 124 0.764 2.590 -10.407 1.00 0.00 C ATOM 381 C GLU A 124 0.878 1.074 -10.537 1.00 0.00 C ATOM 382 O GLU A 124 -0.011 0.417 -11.079 1.00 0.00 O ATOM 383 CB GLU A 124 1.312 3.264 -11.667 1.00 0.00 C ATOM 384 CG GLU A 124 2.654 2.712 -12.117 1.00 0.00 C ATOM 385 CD GLU A 124 3.341 3.605 -13.132 1.00 0.00 C ATOM 386 OE1 GLU A 124 3.356 4.837 -12.923 1.00 0.00 O ATOM 387 OE2 GLU A 124 3.864 3.074 -14.133 1.00 0.00 O ATOM 0 H GLU A 124 2.350 3.550 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 124 -0.289 2.849 -10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 124 0.590 3.146 -12.475 1.00 0.00 H new ATOM 0 HB3 GLU A 124 1.412 4.334 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.302 2.589 -11.249 1.00 0.00 H new ATOM 0 HG3 GLU A 124 2.509 1.722 -12.549 1.00 0.00 H new ATOM 394 N ASP A 125 1.979 0.525 -10.036 1.00 0.00 N ATOM 395 CA ASP A 125 2.212 -0.913 -10.095 1.00 0.00 C ATOM 396 C ASP A 125 1.444 -1.633 -8.991 1.00 0.00 C ATOM 397 O ASP A 125 1.159 -1.058 -7.940 1.00 0.00 O ATOM 398 CB ASP A 125 3.706 -1.216 -9.974 1.00 0.00 C ATOM 399 CG ASP A 125 4.403 -1.238 -11.321 1.00 0.00 C ATOM 400 OD1 ASP A 125 3.981 -0.481 -12.220 1.00 0.00 O ATOM 401 OD2 ASP A 125 5.370 -2.013 -11.475 1.00 0.00 O ATOM 0 H ASP A 125 2.725 1.055 -9.584 1.00 0.00 H new ATOM 0 HA ASP A 125 1.853 -1.274 -11.059 1.00 0.00 H new ATOM 0 HB2 ASP A 125 4.176 -0.466 -9.337 1.00 0.00 H new ATOM 0 HB3 ASP A 125 3.840 -2.180 -9.483 1.00 0.00 H new ATOM 406 N THR A 126 1.110 -2.897 -9.236 1.00 0.00 N ATOM 407 CA THR A 126 0.373 -3.695 -8.264 1.00 0.00 C ATOM 408 C THR A 126 0.787 -5.161 -8.329 1.00 0.00 C ATOM 409 O THR A 126 0.082 -6.037 -7.832 1.00 0.00 O ATOM 410 CB THR A 126 -1.147 -3.592 -8.490 1.00 0.00 C ATOM 411 OG1 THR A 126 -1.517 -4.317 -9.668 1.00 0.00 O ATOM 412 CG2 THR A 126 -1.577 -2.140 -8.626 1.00 0.00 C ATOM 0 H THR A 126 1.338 -3.390 -10.099 1.00 0.00 H new ATOM 0 HA THR A 126 0.614 -3.296 -7.279 1.00 0.00 H new ATOM 0 HB THR A 126 -1.651 -4.023 -7.625 1.00 0.00 H new ATOM 0 HG1 THR A 126 -2.485 -4.248 -9.804 1.00 0.00 H new ATOM 0 HG21 THR A 126 -2.654 -2.093 -8.785 1.00 0.00 H new ATOM 0 HG22 THR A 126 -1.320 -1.598 -7.716 1.00 0.00 H new ATOM 0 HG23 THR A 126 -1.065 -1.687 -9.475 1.00 0.00 H new ATOM 420 N ALA A 127 1.936 -5.419 -8.945 1.00 0.00 N ATOM 421 CA ALA A 127 2.446 -6.779 -9.073 1.00 0.00 C ATOM 422 C ALA A 127 3.970 -6.792 -9.124 1.00 0.00 C ATOM 423 O ALA A 127 4.597 -5.799 -9.495 1.00 0.00 O ATOM 424 CB ALA A 127 1.868 -7.444 -10.313 1.00 0.00 C ATOM 0 H ALA A 127 2.531 -4.704 -9.363 1.00 0.00 H new ATOM 0 HA ALA A 127 2.134 -7.342 -8.193 1.00 0.00 H new ATOM 0 HB1 ALA A 127 2.257 -8.459 -10.396 1.00 0.00 H new ATOM 0 HB2 ALA A 127 0.781 -7.477 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 127 2.151 -6.873 -11.197 1.00 0.00 H new ATOM 430 N CYS A 128 4.560 -7.921 -8.748 1.00 0.00 N ATOM 431 CA CYS A 128 6.011 -8.064 -8.750 1.00 0.00 C ATOM 432 C CYS A 128 6.473 -8.914 -9.930 1.00 0.00 C ATOM 433 O CYS A 128 5.690 -9.663 -10.512 1.00 0.00 O ATOM 434 CB CYS A 128 6.484 -8.692 -7.438 1.00 0.00 C ATOM 435 SG CYS A 128 6.052 -7.729 -5.953 1.00 0.00 S ATOM 0 H CYS A 128 4.055 -8.751 -8.438 1.00 0.00 H new ATOM 0 HA CYS A 128 6.449 -7.071 -8.848 1.00 0.00 H new ATOM 0 HB2 CYS A 128 6.053 -9.689 -7.349 1.00 0.00 H new ATOM 0 HB3 CYS A 128 7.566 -8.815 -7.476 1.00 0.00 H new ATOM 440 N MET A 129 7.750 -8.792 -10.276 1.00 0.00 N ATOM 441 CA MET A 129 8.317 -9.550 -11.385 1.00 0.00 C ATOM 442 C MET A 129 9.693 -10.100 -11.021 1.00 0.00 C ATOM 443 O MET A 129 10.485 -9.430 -10.357 1.00 0.00 O ATOM 444 CB MET A 129 8.420 -8.670 -12.632 1.00 0.00 C ATOM 445 CG MET A 129 8.038 -9.389 -13.916 1.00 0.00 C ATOM 446 SD MET A 129 8.189 -8.337 -15.373 1.00 0.00 S ATOM 447 CE MET A 129 6.837 -8.951 -16.375 1.00 0.00 C ATOM 0 H MET A 129 8.412 -8.175 -9.804 1.00 0.00 H new ATOM 0 HA MET A 129 7.654 -10.389 -11.595 1.00 0.00 H new ATOM 0 HB2 MET A 129 7.776 -7.800 -12.507 1.00 0.00 H new ATOM 0 HB3 MET A 129 9.441 -8.300 -12.722 1.00 0.00 H new ATOM 0 HG2 MET A 129 8.673 -10.267 -14.039 1.00 0.00 H new ATOM 0 HG3 MET A 129 7.012 -9.747 -13.836 1.00 0.00 H new ATOM 0 HE1 MET A 129 6.799 -8.398 -17.313 1.00 0.00 H new ATOM 0 HE2 MET A 129 6.991 -10.010 -16.584 1.00 0.00 H new ATOM 0 HE3 MET A 129 5.897 -8.820 -15.838 1.00 0.00 H new ATOM 457 N THR A 130 9.971 -11.323 -11.460 1.00 0.00 N ATOM 458 CA THR A 130 11.250 -11.963 -11.179 1.00 0.00 C ATOM 459 C THR A 130 11.830 -12.607 -12.433 1.00 0.00 C ATOM 460 O THR A 130 11.093 -13.083 -13.298 1.00 0.00 O ATOM 461 CB THR A 130 11.113 -13.035 -10.082 1.00 0.00 C ATOM 462 OG1 THR A 130 10.140 -12.625 -9.115 1.00 0.00 O ATOM 463 CG2 THR A 130 12.448 -13.280 -9.394 1.00 0.00 C ATOM 0 H THR A 130 9.328 -11.890 -12.012 1.00 0.00 H new ATOM 0 HA THR A 130 11.924 -11.181 -10.830 1.00 0.00 H new ATOM 0 HB THR A 130 10.789 -13.964 -10.551 1.00 0.00 H new ATOM 0 HG1 THR A 130 9.262 -12.982 -9.363 1.00 0.00 H new ATOM 0 HG21 THR A 130 12.326 -14.041 -8.623 1.00 0.00 H new ATOM 0 HG22 THR A 130 13.178 -13.621 -10.128 1.00 0.00 H new ATOM 0 HG23 THR A 130 12.797 -12.354 -8.937 1.00 0.00 H new ATOM 471 N THR A 131 13.156 -12.620 -12.527 1.00 0.00 N ATOM 472 CA THR A 131 13.835 -13.206 -13.676 1.00 0.00 C ATOM 473 C THR A 131 14.747 -14.351 -13.251 1.00 0.00 C ATOM 474 O THR A 131 15.819 -14.129 -12.687 1.00 0.00 O ATOM 475 CB THR A 131 14.670 -12.154 -14.432 1.00 0.00 C ATOM 476 OG1 THR A 131 14.033 -10.874 -14.352 1.00 0.00 O ATOM 477 CG2 THR A 131 14.845 -12.548 -15.890 1.00 0.00 C ATOM 0 H THR A 131 13.781 -12.231 -11.821 1.00 0.00 H new ATOM 0 HA THR A 131 13.060 -13.589 -14.339 1.00 0.00 H new ATOM 0 HB THR A 131 15.654 -12.100 -13.966 1.00 0.00 H new ATOM 0 HG1 THR A 131 14.570 -10.211 -14.833 1.00 0.00 H new ATOM 0 HG21 THR A 131 15.437 -11.790 -16.403 1.00 0.00 H new ATOM 0 HG22 THR A 131 15.356 -13.509 -15.948 1.00 0.00 H new ATOM 0 HG23 THR A 131 13.867 -12.627 -16.365 1.00 0.00 H new ATOM 747 N ARG A 149 14.889 -9.305 -9.800 1.00 0.00 N ATOM 748 CA ARG A 149 13.498 -9.027 -9.463 1.00 0.00 C ATOM 749 C ARG A 149 13.194 -7.537 -9.591 1.00 0.00 C ATOM 750 O ARG A 149 13.977 -6.694 -9.152 1.00 0.00 O ATOM 751 CB ARG A 149 13.192 -9.501 -8.041 1.00 0.00 C ATOM 752 CG ARG A 149 11.757 -9.965 -7.849 1.00 0.00 C ATOM 753 CD ARG A 149 11.511 -10.440 -6.425 1.00 0.00 C ATOM 754 NE ARG A 149 11.844 -11.852 -6.255 1.00 0.00 N ATOM 755 CZ ARG A 149 13.039 -12.283 -5.867 1.00 0.00 C ATOM 756 NH1 ARG A 149 14.010 -11.417 -5.611 1.00 0.00 N ATOM 757 NH2 ARG A 149 13.266 -13.584 -5.734 1.00 0.00 N ATOM 0 HA ARG A 149 12.865 -9.570 -10.164 1.00 0.00 H new ATOM 0 HB2 ARG A 149 13.866 -10.319 -7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 149 13.399 -8.689 -7.344 1.00 0.00 H new ATOM 0 HG2 ARG A 149 11.075 -9.148 -8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 149 11.538 -10.774 -8.546 1.00 0.00 H new ATOM 0 HD2 ARG A 149 12.106 -9.841 -5.735 1.00 0.00 H new ATOM 0 HD3 ARG A 149 10.465 -10.280 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 149 11.120 -12.545 -6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 149 13.840 -10.416 -5.712 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.926 -11.752 -5.313 1.00 0.00 H new ATOM 0 HH21 ARG A 149 12.522 -14.254 -5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 149 14.184 -13.914 -5.436 1.00 0.00 H new ATOM 771 N SER A 150 12.053 -7.221 -10.194 1.00 0.00 N ATOM 772 CA SER A 150 11.648 -5.833 -10.384 1.00 0.00 C ATOM 773 C SER A 150 10.129 -5.701 -10.344 1.00 0.00 C ATOM 774 O SER A 150 9.403 -6.667 -10.583 1.00 0.00 O ATOM 775 CB SER A 150 12.183 -5.301 -11.715 1.00 0.00 C ATOM 776 OG SER A 150 11.727 -6.089 -12.800 1.00 0.00 O ATOM 0 H SER A 150 11.392 -7.907 -10.559 1.00 0.00 H new ATOM 0 HA SER A 150 12.068 -5.243 -9.570 1.00 0.00 H new ATOM 0 HB2 SER A 150 11.863 -4.268 -11.852 1.00 0.00 H new ATOM 0 HB3 SER A 150 13.273 -5.297 -11.697 1.00 0.00 H new ATOM 0 HG SER A 150 12.081 -5.727 -13.639 1.00 0.00 H new ATOM 782 N CYS A 151 9.654 -4.497 -10.041 1.00 0.00 N ATOM 783 CA CYS A 151 8.221 -4.236 -9.969 1.00 0.00 C ATOM 784 C CYS A 151 7.589 -4.285 -11.357 1.00 0.00 C ATOM 785 O CYS A 151 8.256 -4.048 -12.363 1.00 0.00 O ATOM 786 CB CYS A 151 7.963 -2.871 -9.327 1.00 0.00 C ATOM 787 SG CYS A 151 8.916 -2.573 -7.803 1.00 0.00 S ATOM 0 H CYS A 151 10.241 -3.687 -9.841 1.00 0.00 H new ATOM 0 HA CYS A 151 7.765 -5.012 -9.354 1.00 0.00 H new ATOM 0 HB2 CYS A 151 8.201 -2.091 -10.050 1.00 0.00 H new ATOM 0 HB3 CYS A 151 6.900 -2.783 -9.101 1.00 0.00 H new ATOM 792 N SER A 152 6.297 -4.595 -11.401 1.00 0.00 N ATOM 793 CA SER A 152 5.574 -4.679 -12.665 1.00 0.00 C ATOM 794 C SER A 152 4.107 -4.304 -12.477 1.00 0.00 C ATOM 795 O SER A 152 3.549 -4.461 -11.392 1.00 0.00 O ATOM 796 CB SER A 152 5.682 -6.090 -13.245 1.00 0.00 C ATOM 797 OG SER A 152 5.030 -6.176 -14.501 1.00 0.00 O ATOM 0 H SER A 152 5.730 -4.792 -10.577 1.00 0.00 H new ATOM 0 HA SER A 152 6.025 -3.972 -13.362 1.00 0.00 H new ATOM 0 HB2 SER A 152 6.732 -6.361 -13.357 1.00 0.00 H new ATOM 0 HB3 SER A 152 5.240 -6.806 -12.552 1.00 0.00 H new ATOM 0 HG SER A 152 4.975 -7.115 -14.777 1.00 0.00 H new ATOM 803 N SER A 153 3.488 -3.809 -13.545 1.00 0.00 N ATOM 804 CA SER A 153 2.087 -3.408 -13.498 1.00 0.00 C ATOM 805 C SER A 153 1.220 -4.369 -14.307 1.00 0.00 C ATOM 806 O SER A 153 0.027 -4.135 -14.498 1.00 0.00 O ATOM 807 CB SER A 153 1.924 -1.984 -14.031 1.00 0.00 C ATOM 808 OG SER A 153 2.854 -1.717 -15.067 1.00 0.00 O ATOM 0 H SER A 153 3.935 -3.676 -14.452 1.00 0.00 H new ATOM 0 HA SER A 153 1.760 -3.438 -12.459 1.00 0.00 H new ATOM 0 HB2 SER A 153 0.909 -1.846 -14.405 1.00 0.00 H new ATOM 0 HB3 SER A 153 2.064 -1.270 -13.219 1.00 0.00 H new ATOM 0 HG SER A 153 2.728 -0.801 -15.392 1.00 0.00 H new ATOM 814 N SER A 154 1.831 -5.450 -14.782 1.00 0.00 N ATOM 815 CA SER A 154 1.117 -6.445 -15.574 1.00 0.00 C ATOM 816 C SER A 154 1.833 -7.791 -15.528 1.00 0.00 C ATOM 817 O SER A 154 2.645 -8.106 -16.398 1.00 0.00 O ATOM 818 CB SER A 154 0.986 -5.974 -17.024 1.00 0.00 C ATOM 819 OG SER A 154 2.189 -5.378 -17.478 1.00 0.00 O ATOM 0 H SER A 154 2.818 -5.659 -14.632 1.00 0.00 H new ATOM 0 HA SER A 154 0.122 -6.568 -15.147 1.00 0.00 H new ATOM 0 HB2 SER A 154 0.732 -6.820 -17.663 1.00 0.00 H new ATOM 0 HB3 SER A 154 0.169 -5.257 -17.104 1.00 0.00 H new ATOM 0 HG SER A 154 2.939 -5.985 -17.309 1.00 0.00 H new ATOM 825 N CYS A 155 1.525 -8.583 -14.506 1.00 0.00 N ATOM 826 CA CYS A 155 2.138 -9.896 -14.343 1.00 0.00 C ATOM 827 C CYS A 155 1.664 -10.855 -15.431 1.00 0.00 C ATOM 828 O CYS A 155 0.484 -11.199 -15.500 1.00 0.00 O ATOM 829 CB CYS A 155 1.807 -10.468 -12.963 1.00 0.00 C ATOM 830 SG CYS A 155 1.936 -12.283 -12.861 1.00 0.00 S ATOM 0 H CYS A 155 0.854 -8.338 -13.778 1.00 0.00 H new ATOM 0 HA CYS A 155 3.218 -9.780 -14.431 1.00 0.00 H new ATOM 0 HB2 CYS A 155 2.478 -10.025 -12.227 1.00 0.00 H new ATOM 0 HB3 CYS A 155 0.794 -10.170 -12.691 1.00 0.00 H new ATOM 1006 N ILE A 169 9.964 -16.366 -15.868 1.00 0.00 N ATOM 1007 CA ILE A 169 9.472 -15.151 -15.231 1.00 0.00 C ATOM 1008 C ILE A 169 8.491 -15.476 -14.109 1.00 0.00 C ATOM 1009 O ILE A 169 7.456 -16.103 -14.337 1.00 0.00 O ATOM 1010 CB ILE A 169 8.782 -14.222 -16.248 1.00 0.00 C ATOM 1011 CG1 ILE A 169 9.765 -13.812 -17.346 1.00 0.00 C ATOM 1012 CG2 ILE A 169 8.219 -12.994 -15.547 1.00 0.00 C ATOM 1013 CD1 ILE A 169 11.023 -13.158 -16.817 1.00 0.00 C ATOM 0 HA ILE A 169 10.340 -14.640 -14.814 1.00 0.00 H new ATOM 0 HB ILE A 169 7.956 -14.763 -16.710 1.00 0.00 H new ATOM 0 HG12 ILE A 169 10.039 -14.694 -17.925 1.00 0.00 H new ATOM 0 HG13 ILE A 169 9.267 -13.124 -18.030 1.00 0.00 H new ATOM 0 HG21 ILE A 169 7.735 -12.347 -16.279 1.00 0.00 H new ATOM 0 HG22 ILE A 169 7.490 -13.305 -14.798 1.00 0.00 H new ATOM 0 HG23 ILE A 169 9.028 -12.449 -15.061 1.00 0.00 H new ATOM 0 HD11 ILE A 169 11.674 -12.894 -17.651 1.00 0.00 H new ATOM 0 HD12 ILE A 169 10.759 -12.257 -16.263 1.00 0.00 H new ATOM 0 HD13 ILE A 169 11.543 -13.851 -16.156 1.00 0.00 H new ATOM 1025 N PHE A 170 8.823 -15.045 -12.897 1.00 0.00 N ATOM 1026 CA PHE A 170 7.971 -15.289 -11.739 1.00 0.00 C ATOM 1027 C PHE A 170 7.385 -13.983 -11.210 1.00 0.00 C ATOM 1028 O PHE A 170 8.096 -13.156 -10.638 1.00 0.00 O ATOM 1029 CB PHE A 170 8.765 -15.989 -10.634 1.00 0.00 C ATOM 1030 CG PHE A 170 8.719 -17.488 -10.720 1.00 0.00 C ATOM 1031 CD1 PHE A 170 7.579 -18.182 -10.349 1.00 0.00 C ATOM 1032 CD2 PHE A 170 9.816 -18.203 -11.173 1.00 0.00 C ATOM 1033 CE1 PHE A 170 7.534 -19.561 -10.427 1.00 0.00 C ATOM 1034 CE2 PHE A 170 9.778 -19.582 -11.254 1.00 0.00 C ATOM 1035 CZ PHE A 170 8.635 -20.262 -10.881 1.00 0.00 C ATOM 0 H PHE A 170 9.676 -14.525 -12.691 1.00 0.00 H new ATOM 0 HA PHE A 170 7.150 -15.934 -12.052 1.00 0.00 H new ATOM 0 HB2 PHE A 170 9.804 -15.662 -10.681 1.00 0.00 H new ATOM 0 HB3 PHE A 170 8.376 -15.677 -9.665 1.00 0.00 H new ATOM 0 HD1 PHE A 170 6.715 -17.639 -9.995 1.00 0.00 H new ATOM 0 HD2 PHE A 170 10.712 -17.676 -11.466 1.00 0.00 H new ATOM 0 HE1 PHE A 170 6.639 -20.090 -10.134 1.00 0.00 H new ATOM 0 HE2 PHE A 170 10.640 -20.127 -11.608 1.00 0.00 H new ATOM 0 HZ PHE A 170 8.602 -21.340 -10.944 1.00 0.00 H new ATOM 1045 N CYS A 171 6.082 -13.805 -11.406 1.00 0.00 N ATOM 1046 CA CYS A 171 5.398 -12.601 -10.951 1.00 0.00 C ATOM 1047 C CYS A 171 4.300 -12.945 -9.949 1.00 0.00 C ATOM 1048 O CYS A 171 3.904 -14.104 -9.819 1.00 0.00 O ATOM 1049 CB CYS A 171 4.801 -11.848 -12.141 1.00 0.00 C ATOM 1050 SG CYS A 171 3.774 -12.881 -13.235 1.00 0.00 S ATOM 0 H CYS A 171 5.479 -14.480 -11.877 1.00 0.00 H new ATOM 0 HA CYS A 171 6.130 -11.962 -10.456 1.00 0.00 H new ATOM 0 HB2 CYS A 171 4.197 -11.021 -11.768 1.00 0.00 H new ATOM 0 HB3 CYS A 171 5.612 -11.413 -12.726 1.00 0.00 H new ATOM 1055 N CYS A 172 3.811 -11.931 -9.244 1.00 0.00 N ATOM 1056 CA CYS A 172 2.758 -12.124 -8.254 1.00 0.00 C ATOM 1057 C CYS A 172 2.074 -10.801 -7.922 1.00 0.00 C ATOM 1058 O CYS A 172 2.285 -9.793 -8.597 1.00 0.00 O ATOM 1059 CB CYS A 172 3.335 -12.746 -6.980 1.00 0.00 C ATOM 1060 SG CYS A 172 4.428 -11.633 -6.039 1.00 0.00 S ATOM 0 H CYS A 172 4.127 -10.966 -9.340 1.00 0.00 H new ATOM 0 HA CYS A 172 2.015 -12.801 -8.677 1.00 0.00 H new ATOM 0 HB2 CYS A 172 2.513 -13.060 -6.337 1.00 0.00 H new ATOM 0 HB3 CYS A 172 3.892 -13.644 -7.247 1.00 0.00 H new ATOM 1065 N PHE A 173 1.253 -10.812 -6.877 1.00 0.00 N ATOM 1066 CA PHE A 173 0.537 -9.613 -6.455 1.00 0.00 C ATOM 1067 C PHE A 173 0.528 -9.492 -4.934 1.00 0.00 C ATOM 1068 O PHE A 173 -0.422 -8.974 -4.347 1.00 0.00 O ATOM 1069 CB PHE A 173 -0.899 -9.639 -6.984 1.00 0.00 C ATOM 1070 CG PHE A 173 -0.989 -9.517 -8.478 1.00 0.00 C ATOM 1071 CD1 PHE A 173 -0.693 -10.597 -9.294 1.00 0.00 C ATOM 1072 CD2 PHE A 173 -1.369 -8.322 -9.067 1.00 0.00 C ATOM 1073 CE1 PHE A 173 -0.776 -10.488 -10.669 1.00 0.00 C ATOM 1074 CE2 PHE A 173 -1.453 -8.207 -10.442 1.00 0.00 C ATOM 1075 CZ PHE A 173 -1.155 -9.291 -11.244 1.00 0.00 C ATOM 0 H PHE A 173 1.067 -11.637 -6.307 1.00 0.00 H new ATOM 0 HA PHE A 173 1.054 -8.747 -6.868 1.00 0.00 H new ATOM 0 HB2 PHE A 173 -1.375 -10.569 -6.674 1.00 0.00 H new ATOM 0 HB3 PHE A 173 -1.461 -8.825 -6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 173 -0.394 -11.535 -8.850 1.00 0.00 H new ATOM 0 HD2 PHE A 173 -1.602 -7.471 -8.445 1.00 0.00 H new ATOM 0 HE1 PHE A 173 -0.545 -11.338 -11.293 1.00 0.00 H new ATOM 0 HE2 PHE A 173 -1.751 -7.270 -10.889 1.00 0.00 H new ATOM 0 HZ PHE A 173 -1.218 -9.203 -12.319 1.00 0.00 H new ATOM 1085 N ARG A 174 1.593 -9.975 -4.302 1.00 0.00 N ATOM 1086 CA ARG A 174 1.708 -9.923 -2.849 1.00 0.00 C ATOM 1087 C ARG A 174 3.061 -9.354 -2.431 1.00 0.00 C ATOM 1088 O ARG A 174 4.084 -9.637 -3.055 1.00 0.00 O ATOM 1089 CB ARG A 174 1.522 -11.318 -2.251 1.00 0.00 C ATOM 1090 CG ARG A 174 0.069 -11.757 -2.169 1.00 0.00 C ATOM 1091 CD ARG A 174 -0.270 -12.767 -3.253 1.00 0.00 C ATOM 1092 NE ARG A 174 0.234 -14.101 -2.936 1.00 0.00 N ATOM 1093 CZ ARG A 174 0.202 -15.120 -3.787 1.00 0.00 C ATOM 1094 NH1 ARG A 174 -0.306 -14.959 -5.001 1.00 0.00 N ATOM 1095 NH2 ARG A 174 0.680 -16.304 -3.425 1.00 0.00 N ATOM 0 H ARG A 174 2.388 -10.407 -4.773 1.00 0.00 H new ATOM 0 HA ARG A 174 0.925 -9.266 -2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 174 2.077 -12.039 -2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 174 1.955 -11.336 -1.251 1.00 0.00 H new ATOM 0 HG2 ARG A 174 -0.125 -12.194 -1.190 1.00 0.00 H new ATOM 0 HG3 ARG A 174 -0.581 -10.887 -2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 174 -1.351 -12.810 -3.383 1.00 0.00 H new ATOM 0 HD3 ARG A 174 0.152 -12.436 -4.202 1.00 0.00 H new ATOM 0 HE ARG A 174 0.632 -14.258 -2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 174 -0.674 -14.051 -5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 174 -0.329 -15.744 -5.652 1.00 0.00 H new ATOM 0 HH21 ARG A 174 1.072 -16.432 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 174 0.655 -17.086 -4.079 1.00 0.00 H new ATOM 1109 N ASP A 175 3.058 -8.552 -1.372 1.00 0.00 N ATOM 1110 CA ASP A 175 4.285 -7.944 -0.870 1.00 0.00 C ATOM 1111 C ASP A 175 5.252 -9.010 -0.364 1.00 0.00 C ATOM 1112 O ASP A 175 4.935 -9.763 0.558 1.00 0.00 O ATOM 1113 CB ASP A 175 3.967 -6.953 0.251 1.00 0.00 C ATOM 1114 CG ASP A 175 2.769 -6.081 -0.071 1.00 0.00 C ATOM 1115 OD1 ASP A 175 1.638 -6.611 -0.089 1.00 0.00 O ATOM 1116 OD2 ASP A 175 2.962 -4.870 -0.305 1.00 0.00 O ATOM 0 H ASP A 175 2.220 -8.308 -0.845 1.00 0.00 H new ATOM 0 HA ASP A 175 4.760 -7.410 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 175 3.776 -7.501 1.174 1.00 0.00 H new ATOM 0 HB3 ASP A 175 4.836 -6.320 0.430 1.00 0.00 H new ATOM 1121 N LEU A 176 6.431 -9.069 -0.972 1.00 0.00 N ATOM 1122 CA LEU A 176 7.445 -10.044 -0.584 1.00 0.00 C ATOM 1123 C LEU A 176 6.942 -11.468 -0.801 1.00 0.00 C ATOM 1124 O LEU A 176 7.354 -12.396 -0.104 1.00 0.00 O ATOM 1125 CB LEU A 176 7.835 -9.846 0.882 1.00 0.00 C ATOM 1126 CG LEU A 176 8.054 -8.401 1.329 1.00 0.00 C ATOM 1127 CD1 LEU A 176 8.622 -8.358 2.739 1.00 0.00 C ATOM 1128 CD2 LEU A 176 8.976 -7.676 0.359 1.00 0.00 C ATOM 0 H LEU A 176 6.709 -8.453 -1.736 1.00 0.00 H new ATOM 0 HA LEU A 176 8.323 -9.889 -1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 176 7.057 -10.284 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 176 8.750 -10.407 1.073 1.00 0.00 H new ATOM 0 HG LEU A 176 7.090 -7.893 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.771 -7.321 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 176 7.926 -8.839 3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 176 9.577 -8.884 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 176 9.120 -6.649 0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 176 9.939 -8.185 0.323 1.00 0.00 H new ATOM 0 HD23 LEU A 176 8.529 -7.675 -0.635 1.00 0.00 H new ATOM 1140 N CYS A 177 6.052 -11.634 -1.773 1.00 0.00 N ATOM 1141 CA CYS A 177 5.494 -12.944 -2.084 1.00 0.00 C ATOM 1142 C CYS A 177 6.602 -13.952 -2.376 1.00 0.00 C ATOM 1143 O CYS A 177 6.421 -15.156 -2.202 1.00 0.00 O ATOM 1144 CB CYS A 177 4.548 -12.848 -3.283 1.00 0.00 C ATOM 1145 SG CYS A 177 5.387 -12.911 -4.898 1.00 0.00 S ATOM 0 H CYS A 177 5.701 -10.877 -2.359 1.00 0.00 H new ATOM 0 HA CYS A 177 4.934 -13.288 -1.215 1.00 0.00 H new ATOM 0 HB2 CYS A 177 3.826 -13.663 -3.229 1.00 0.00 H new ATOM 0 HB3 CYS A 177 3.985 -11.917 -3.214 1.00 0.00 H new